Ag4Br5
Alexandria ALEXAlex-ID: agm005504281 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B5_4_spg139
AgBr Br
2023-03-19 12:01:32.806661
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005504281).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
晶体结构 3D 渲染
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005504281
data_agm005504281
_cell_length_a 7.82780
_cell_length_b 7.82780
_cell_length_c 7.82780
_cell_angle_alpha 93.15447
_cell_angle_beta 93.15447
_cell_angle_gamma 152.86617
_cell_volume 212.64731
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Ag1 Ag 0.64907 0.00000 0.64907 1.00000
Ag2 Ag 0.35093 0.00000 0.35093 1.00000
Ag3 Ag 0.00000 0.35093 0.35093 1.00000
Ag4 Ag 0.00000 0.64907 0.64907 1.00000
Br1 Br 0.00000 0.00000 0.00000 1.00000
Br2 Br 0.66668 0.33332 0.00000 1.00000
Br3 Br 0.33332 0.66668 0.00000 1.00000
Br4 Br 0.33332 0.33332 0.66664 1.00000
Br5 Br 0.66668 0.66668 0.33336 1.00000
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